Spektraris NMR
6a-Acetoxy-16b,22-dihydroxyhopan-24-oic acid
Common Name: 6a-Acetoxy-16b,22-dihydroxyhopan-24-oic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H52O6/c1-18(33)38-21-17-32(8)23(29(5)13-9-14-30(6,25(21)29)26(35)36)11-10-22-28(4)15-12-19(27(2,3)37)24(28)20(34)16-31(22,32)7/h19-25,34,37H,9-17H2,1-8H3,(H,35,36)/t19-,20-,21-,22+,23+,24+,25+,28+,29+,30-,31+,32+/m0/s1
InChIKey: InChIKey=GOSBNJTXZWHKBU-BOPDOAPJSA-N
Formula: C32H52O6
Molecular Weight: 532.752897
Exact Mass: 532.376389
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Giner F.J.A., Wollenweber E. Phytochemistry (1986) 25, 735
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Hopanes; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 (CH2) | 40 |
| 2 (CH2) | 19.6 |
| 3 (CH2) | 41.1 |
| 4 (C) | 44.6 |
| 5 (CH) | 59.2 |
| 6 (CH) | 72.8 |
| 7 (CH2) | 40.9 |
| 8 (C) | 43 |
| 9 (CH) | 49.2 |
| 10 (C) | 40.4 |
| 11 (CH2) | 21.7 |
| 12 (CH2) | 24 |
| 13 (CH) | 49.2 |
| 14 (C) | 44.4 |
| 15 (CH2) | 44.5 |
| 16 (CH) | 66.6 |
| 17 (CH) | 61.7 |
| 18 (C) | 45.8 |
| 19 (CH2) | 42 |
| 20 (CH2) | 27.9 |
| 21 (CH) | 51.9 |
| 22 (C) | 73.2 |
| 23 (CH3) | 32.7 |
| 24 (C) | 179.4 |
| 25 (CH3) | 17.5 |
| 26 (CH3) | 18.4 |
| 27 (CH3) | 15.4 |
| 28 (CH3) | 18 |
| 29 (CH3) | 27.5 |
| 30 (CH3) | 31.3 |
| 6a (C) | 169.5 |
| 6b (CH3) | 21.9 |
